Geometry & MOs

Info

ID:	321432
PubChem CID:	126666031
Reduced:	ClO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	378.97232
ΔH_f, kcal/mol:	34.32
Dipole, Da:	1.79
IP(EA), eV:	-9.51(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-[(4-chlorophenyl)methyl]-3-cyclopropyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C(=O)N(N=C2CC)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations